SCHEMBL7490209

SCHEMBL7490209

[Li]c1ccc(CN(CC)CC)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.67
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PYCR1 P32322 1/20 0.44
CNR2 P34972 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7768079 0.87 HRH3 (0.84) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL12680476 0.80 HRH3 (1.00) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL5926009 0.80 HRH3 (0.73) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL26686938 0.78 HRH3 (0.70) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL2253179 0.78 HRH3 (0.70) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL5925786 0.78 HRH3 (0.70) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL11366830 0.76 HRH3 (0.67) HRH3HDAC8HDAC6PYCR1
SCHEMBL4202242 0.76 HRH3 (0.67) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL21850604 0.76 HRH3 (0.67) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL4371629 0.76 HRH3 (0.67) HRH3HDAC8HDAC6PYCR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740689-B1 SUBSTITUTED UNSYMMETRICAL CYANINE DYES WITH SELECTED PERMEABILITY MOLECULAR PROBES INC (US) 2002-01-30 EP disclosed
US-5658751-A SUBSTITUENTS ON PYRIDINIUM OR QUINOLINIUM RING SYSTEM SERVE TO INCREASE OR DECREASE PERMEABILITY, SELECTIVITY AND BINDING AFFINITY OF NUCLEIC ACID STAINS; FORM FLUORESCENT COMPLEXES WITH NUCLEIC ACIDS MOLECULAR PROBES, INC. (US) 1997-08-19 US disclosed
WO-1996013552-A2 SUBSTITUTED UNSYMMETRICAL CYANINE DYES WITH SELECTED PERMEABILITY MOLECULAR PROBES, INC. (US) 1996-05-09 WO disclosed